[
  {
    "molid": "mol8838",
    "smiles": "NNc1ccc(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ccc(Cl)cc1Cl",
        "std_free_energy": -5.944243431091309,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccc(Cl)cc1Cl",
        "std_free_energy": 0.15116751194000244,
        "relative_population": 0.6705401542374302
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1ccc(Cl)cc1Cl",
        "std_free_energy": 0.8617966175079346,
        "relative_population": 0.32945984576256987
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]